Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-65650
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Sr', 'Mg']
  • Chemical System: Ba-Mg-Sr
  • Density: 3.014033215704968
  • Atomic Density: 0.021552319321954134
  • Unit Cell Volume: 185.59487451197074
  • Molar Volume: 27.941961466140604
  • Full Formula: Ba1 Sr2 Mg1
  • Reduced Formula: BaSr2Mg
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm